Natural Product: NPC3488

Natural Product ID:  NPC3488
Common Name:   8-Epiloganic Acid
IUPAC Name:   (1S,4aS,6S,7S,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
Synonyms:   8-Epiloganic Acid
Molecular Formula:   C16H24O10
Standard InCHIKey:  JNNGEAWILNVFFD-OZFVSFPVSA-N
Standard InCHI:  InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@H](C)[C@H](C3)O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO28192 Xenia puertogalerae Species Xeniidae Eukaryota UNPD*
NPO6354 Trypetheliopsis boninensis Species Monoblastiaceae Eukaryota UNPD*
NPO9096 Scutellaria lateriflora Species Lamiaceae Eukaryota UNPD*
NPO1480 Dimocarpus fumatus Species Sapindaceae Eukaryota UNPD*
NPO9492 Maesopsis eminii Species Rhamnaceae Eukaryota UNPD*
NPO7427 Fagara ailanthoides NA NA NA UNPD*
NPO4907 Torulopsis magnoliae Species NA Eukaryota UNPD*
NPO8031 Portulaca okinawensis Species Portulacaceae Eukaryota UNPD*
NPO10680 Cistanche deserticola Species Orobanchaceae Eukaryota HerDing*
NPO12531 Gmelina philippensis Species Lamiaceae Eukaryota HerDing*
NPO8101 Rehmannia glutinosa Species Orobanchaceae Eukaryota TCM_Taiwan*
NPO8101 Rehmannia glutinosa Species Orobanchaceae Eukaryota HerDing*
NPO26435 Cistanches herba NA NA NA TCMSP*
NPO17746 Tripterygii radix NA NA NA TCMSP*
NPO10000 Rehmanniae radix praeparata NA NA NA TCMSP*
NPO10680 Cistanche deserticola Species Orobanchaceae Eukaryota TM-MC*
NPO6964 Cistanche tubulosa Species Orobanchaceae Eukaryota TM-MC*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TM-MC*
NPO8101 Rehmannia glutinosa Species Orobanchaceae Eukaryota TM-MC*
NPO8101 Rehmannia glutinosa Species Orobanchaceae Eukaryota TCMID*
NPO12531 Gmelina philippensis Species Lamiaceae Eukaryota TCMID*
NPO10680 Cistanche deserticola Species Orobanchaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT191 Organism Hepatitis C virus Hepatitis C virus Inhibition = -21.6 % 19904996
NPT191 Organism Hepatitis C virus Hepatitis C virus Inhibition = 5.3 % 19904996

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC3488 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC287539
0.9684 High Similarity NPC177013
0.9684 High Similarity NPC474730
0.9684 High Similarity NPC35185
0.9684 High Similarity NPC4899
0.9588 High Similarity NPC127235
0.9583 High Similarity NPC37240
0.9388 High Similarity NPC170432
0.9381 High Similarity NPC475928
0.9362 High Similarity NPC161293
0.9293 High Similarity NPC148270
0.9293 High Similarity NPC80338
0.9293 High Similarity NPC197813
0.9082 High Similarity NPC106668
0.9082 High Similarity NPC304163
0.902 High Similarity NPC193741
0.901 High Similarity NPC110701
0.899 High Similarity NPC27687
0.8947 High Similarity NPC63897
0.8846 High Similarity NPC475924
0.8846 High Similarity NPC475851
0.8586 High Similarity NPC37866
0.8542 High Similarity NPC235051
0.8515 High Similarity NPC80144
0.8469 Intermediate Similarity NPC93869
0.8469 Intermediate Similarity NPC6765
0.8416 Intermediate Similarity NPC67296
0.8384 Intermediate Similarity NPC474297
0.8367 Intermediate Similarity NPC274588
0.83 Intermediate Similarity NPC58267
0.83 Intermediate Similarity NPC261372
0.83 Intermediate Similarity NPC263674
0.8269 Intermediate Similarity NPC41681
0.8247 Intermediate Similarity NPC120021
0.8247 Intermediate Similarity NPC270908
0.8247 Intermediate Similarity NPC470573
0.8247 Intermediate Similarity NPC216826
0.8247 Intermediate Similarity NPC231710
0.8247 Intermediate Similarity NPC65665
0.8235 Intermediate Similarity NPC216911
0.8218 Intermediate Similarity NPC49833
0.8218 Intermediate Similarity NPC249171
0.8211 Intermediate Similarity NPC470657
0.82 Intermediate Similarity NPC284063
0.82 Intermediate Similarity NPC241911
0.82 Intermediate Similarity NPC170527
0.8144 Intermediate Similarity NPC93190
0.8137 Intermediate Similarity NPC476320
0.8137 Intermediate Similarity NPC476211
0.8137 Intermediate Similarity NPC22149
0.8137 Intermediate Similarity NPC255677
0.8137 Intermediate Similarity NPC306344
0.8125 Intermediate Similarity NPC31349
0.8119 Intermediate Similarity NPC86843
0.8119 Intermediate Similarity NPC236580
0.8119 Intermediate Similarity NPC304445
0.8119 Intermediate Similarity NPC472290
0.8077 Intermediate Similarity NPC329834
0.8077 Intermediate Similarity NPC473148
0.8058 Intermediate Similarity NPC27474
0.8058 Intermediate Similarity NPC28304
0.8058 Intermediate Similarity NPC476230
0.8058 Intermediate Similarity NPC298255
0.7981 Intermediate Similarity NPC195510
0.7981 Intermediate Similarity NPC13171
0.798 Intermediate Similarity NPC274274
0.798 Intermediate Similarity NPC473150
0.798 Intermediate Similarity NPC294643
0.7961 Intermediate Similarity NPC473146
0.7959 Intermediate Similarity NPC50464
0.7905 Intermediate Similarity NPC284929
0.7905 Intermediate Similarity NPC197541
0.7905 Intermediate Similarity NPC118761
0.7905 Intermediate Similarity NPC329704
0.7905 Intermediate Similarity NPC267869
0.7905 Intermediate Similarity NPC234304
0.7885 Intermediate Similarity NPC476228
0.7879 Intermediate Similarity NPC117596
0.7864 Intermediate Similarity NPC472015
0.783 Intermediate Similarity NPC86095
0.7812 Intermediate Similarity NPC3464
0.7812 Intermediate Similarity NPC151176
0.7812 Intermediate Similarity NPC475963
0.781 Intermediate Similarity NPC250545
0.781 Intermediate Similarity NPC310804
0.781 Intermediate Similarity NPC94919
0.781 Intermediate Similarity NPC261117
0.781 Intermediate Similarity NPC222062
0.78 Intermediate Similarity NPC66504
0.78 Intermediate Similarity NPC472124
0.78 Intermediate Similarity NPC472125
0.78 Intermediate Similarity NPC472126
0.7788 Intermediate Similarity NPC13710
0.7745 Intermediate Similarity NPC167893
0.7739 Intermediate Similarity NPC470829
0.7739 Intermediate Similarity NPC473228
0.7723 Intermediate Similarity NPC61201
0.7714 Intermediate Similarity NPC471401
0.7706 Intermediate Similarity NPC118225
0.77 Intermediate Similarity NPC246173
0.77 Intermediate Similarity NPC307699
0.7685 Intermediate Similarity NPC254538
0.7685 Intermediate Similarity NPC474285
0.7636 Intermediate Similarity NPC106760
0.7636 Intermediate Similarity NPC114961
0.7636 Intermediate Similarity NPC27551
0.7611 Intermediate Similarity NPC88945
0.7603 Intermediate Similarity NPC155529
0.7596 Intermediate Similarity NPC471150
0.7593 Intermediate Similarity NPC285927
0.7589 Intermediate Similarity NPC132668
0.7586 Intermediate Similarity NPC202051
0.7586 Intermediate Similarity NPC42675
0.7573 Intermediate Similarity NPC101051
0.7563 Intermediate Similarity NPC152091
0.7547 Intermediate Similarity NPC20673
0.7545 Intermediate Similarity NPC208307
0.7544 Intermediate Similarity NPC473304
0.7525 Intermediate Similarity NPC303451
0.7525 Intermediate Similarity NPC6414
0.7523 Intermediate Similarity NPC287269
0.7521 Intermediate Similarity NPC216866
0.7521 Intermediate Similarity NPC213634
0.75 Intermediate Similarity NPC243572
0.75 Intermediate Similarity NPC281840
0.7478 Intermediate Similarity NPC475309
0.7477 Intermediate Similarity NPC255655
0.7477 Intermediate Similarity NPC471599
0.7477 Intermediate Similarity NPC98633
0.7476 Intermediate Similarity NPC71589
0.7475 Intermediate Similarity NPC149018
0.7475 Intermediate Similarity NPC171484
0.7458 Intermediate Similarity NPC1980
0.7458 Intermediate Similarity NPC27363
0.7458 Intermediate Similarity NPC238005
0.7458 Intermediate Similarity NPC141196
0.7456 Intermediate Similarity NPC229752
0.7456 Intermediate Similarity NPC277583
0.7455 Intermediate Similarity NPC230888
0.7455 Intermediate Similarity NPC392
0.7455 Intermediate Similarity NPC177524
0.7455 Intermediate Similarity NPC224414
0.7455 Intermediate Similarity NPC219900
0.7455 Intermediate Similarity NPC88744
0.7453 Intermediate Similarity NPC186861
0.7453 Intermediate Similarity NPC244878
0.7453 Intermediate Similarity NPC471381
0.7451 Intermediate Similarity NPC472197
0.7449 Intermediate Similarity NPC98276
0.7449 Intermediate Similarity NPC259296
0.7449 Intermediate Similarity NPC474780
0.7447 Intermediate Similarity NPC70996
0.7434 Intermediate Similarity NPC73455
0.7434 Intermediate Similarity NPC200944
0.7434 Intermediate Similarity NPC102619
0.7434 Intermediate Similarity NPC73986
0.7431 Intermediate Similarity NPC210178
0.7429 Intermediate Similarity NPC476612
0.7429 Intermediate Similarity NPC476613
0.7426 Intermediate Similarity NPC22918
0.7419 Intermediate Similarity NPC158350
0.7414 Intermediate Similarity NPC319570
0.7411 Intermediate Similarity NPC471251
0.7411 Intermediate Similarity NPC122339
0.7411 Intermediate Similarity NPC56025
0.7411 Intermediate Similarity NPC213320
0.7411 Intermediate Similarity NPC63244
0.7404 Intermediate Similarity NPC472873
0.7395 Intermediate Similarity NPC190846
0.7395 Intermediate Similarity NPC277191
0.7395 Intermediate Similarity NPC318135
0.7391 Intermediate Similarity NPC78836
0.7387 Intermediate Similarity NPC471250
0.7387 Intermediate Similarity NPC51947
0.7387 Intermediate Similarity NPC471400
0.7387 Intermediate Similarity NPC91583
0.7387 Intermediate Similarity NPC8431
0.7387 Intermediate Similarity NPC473844
0.7387 Intermediate Similarity NPC240125
0.7383 Intermediate Similarity NPC476611
0.7383 Intermediate Similarity NPC219038
0.7381 Intermediate Similarity NPC470143
0.7381 Intermediate Similarity NPC322503
0.7373 Intermediate Similarity NPC28532
0.7368 Intermediate Similarity NPC472274
0.7368 Intermediate Similarity NPC471398
0.7368 Intermediate Similarity NPC469821
0.736 Intermediate Similarity NPC127656
0.736 Intermediate Similarity NPC62172
0.736 Intermediate Similarity NPC289700
0.7358 Intermediate Similarity NPC151093
0.7345 Intermediate Similarity NPC471245
0.7345 Intermediate Similarity NPC473397
0.7345 Intermediate Similarity NPC471244
0.7345 Intermediate Similarity NPC473303
0.7345 Intermediate Similarity NPC474927
0.7339 Intermediate Similarity NPC223741
0.7333 Intermediate Similarity NPC93368
0.7333 Intermediate Similarity NPC306041
0.7333 Intermediate Similarity NPC198714

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC3488 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.7455 Intermediate Similarity NPD6686 Approved
0.7364 Intermediate Similarity NPD6412 Phase 2
0.7333 Intermediate Similarity NPD7507 Approved
0.7281 Intermediate Similarity NPD8133 Approved
0.7154 Intermediate Similarity NPD7319 Approved
0.7143 Intermediate Similarity NPD7503 Approved
0.7043 Intermediate Similarity NPD6053 Discontinued
0.686 Remote Similarity NPD8513 Phase 3
0.6857 Remote Similarity NPD6698 Approved
0.6857 Remote Similarity NPD46 Approved
0.681 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6807 Remote Similarity NPD6009 Approved
0.6803 Remote Similarity NPD6370 Approved
0.68 Remote Similarity NPD7736 Approved
0.6796 Remote Similarity NPD4249 Approved
0.6792 Remote Similarity NPD7983 Approved
0.6777 Remote Similarity NPD6319 Approved
0.6752 Remote Similarity NPD6882 Approved
0.675 Remote Similarity NPD7327 Approved
0.675 Remote Similarity NPD7328 Approved
0.6733 Remote Similarity NPD6435 Approved
0.6731 Remote Similarity NPD4250 Approved
0.6731 Remote Similarity NPD4251 Approved
0.6726 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6721 Remote Similarity NPD8516 Approved
0.6721 Remote Similarity NPD8517 Approved
0.6721 Remote Similarity NPD8515 Approved
0.672 Remote Similarity NPD8293 Discontinued
0.6695 Remote Similarity NPD4632 Approved
0.6694 Remote Similarity NPD7492 Approved
0.6694 Remote Similarity NPD7516 Approved
0.6667 Remote Similarity NPD8137 Clinical (unspecified phase)
0.664 Remote Similarity NPD6616 Approved
0.6639 Remote Similarity NPD8377 Approved
0.6639 Remote Similarity NPD8294 Approved
0.6639 Remote Similarity NPD6054 Approved
0.661 Remote Similarity NPD8297 Approved
0.6609 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6587 Remote Similarity NPD7078 Approved
0.6585 Remote Similarity NPD8033 Approved
0.6585 Remote Similarity NPD6015 Approved
0.6585 Remote Similarity NPD8296 Approved
0.6585 Remote Similarity NPD6016 Approved
0.6585 Remote Similarity NPD8335 Approved
0.6585 Remote Similarity NPD8380 Approved
0.6585 Remote Similarity NPD8378 Approved
0.6585 Remote Similarity NPD8379 Approved
0.6581 Remote Similarity NPD6371 Approved
0.6579 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6579 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6577 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6535 Remote Similarity NPD5368 Approved
0.6532 Remote Similarity NPD8080 Discontinued
0.6532 Remote Similarity NPD5988 Approved
0.6505 Remote Similarity NPD5362 Discontinued
0.6505 Remote Similarity NPD7154 Phase 3
0.6504 Remote Similarity NPD6059 Approved
0.6496 Remote Similarity NPD8132 Clinical (unspecified phase)
0.648 Remote Similarity NPD8328 Phase 3
0.6475 Remote Similarity NPD7641 Discontinued
0.6466 Remote Similarity NPD5697 Approved
0.6452 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6422 Remote Similarity NPD5779 Approved
0.6422 Remote Similarity NPD5778 Approved
0.641 Remote Similarity NPD6881 Approved
0.641 Remote Similarity NPD6899 Approved
0.6396 Remote Similarity NPD7839 Suspended
0.6393 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6387 Remote Similarity NPD6650 Approved
0.6387 Remote Similarity NPD6649 Approved
0.6379 Remote Similarity NPD7128 Approved
0.6379 Remote Similarity NPD5739 Approved
0.6379 Remote Similarity NPD6402 Approved
0.6379 Remote Similarity NPD6675 Approved
0.6373 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6356 Remote Similarity NPD6372 Approved
0.6356 Remote Similarity NPD6013 Approved
0.6356 Remote Similarity NPD6014 Approved
0.6356 Remote Similarity NPD6012 Approved
0.6356 Remote Similarity NPD6373 Approved
0.6349 Remote Similarity NPD7830 Approved
0.6349 Remote Similarity NPD7829 Approved
0.6325 Remote Similarity NPD5701 Approved
0.6321 Remote Similarity NPD5786 Approved
0.632 Remote Similarity NPD5983 Phase 2
0.6303 Remote Similarity NPD7102 Approved
0.6303 Remote Similarity NPD6883 Approved
0.6303 Remote Similarity NPD7290 Approved
0.6299 Remote Similarity NPD8299 Approved
0.6299 Remote Similarity NPD8342 Approved
0.6299 Remote Similarity NPD8340 Approved
0.6299 Remote Similarity NPD8341 Approved
0.6279 Remote Similarity NPD8337 Approved
0.6279 Remote Similarity NPD8336 Approved
0.6271 Remote Similarity NPD7320 Approved
0.6271 Remote Similarity NPD6011 Approved
0.6261 Remote Similarity NPD5211 Phase 2
0.625 Remote Similarity NPD6869 Approved
0.625 Remote Similarity NPD8130 Phase 1
0.625 Remote Similarity NPD6847 Approved
0.625 Remote Similarity NPD6617 Approved
0.6239 Remote Similarity NPD7838 Discovery
0.6228 Remote Similarity NPD7639 Approved
0.6228 Remote Similarity NPD7640 Approved
0.6226 Remote Similarity NPD5363 Approved
0.622 Remote Similarity NPD7604 Phase 2
0.6214 Remote Similarity NPD4822 Approved
0.6214 Remote Similarity NPD4821 Approved
0.6214 Remote Similarity NPD4819 Approved
0.6214 Remote Similarity NPD4820 Approved
0.6202 Remote Similarity NPD8074 Phase 3
0.6195 Remote Similarity NPD6083 Phase 2
0.6195 Remote Similarity NPD6084 Phase 2
0.619 Remote Similarity NPD4788 Approved
0.6176 Remote Similarity NPD4238 Approved
0.6176 Remote Similarity NPD4271 Approved
0.6176 Remote Similarity NPD4802 Phase 2
0.6176 Remote Similarity NPD4268 Approved
0.6167 Remote Similarity NPD4634 Approved
0.6161 Remote Similarity NPD5695 Phase 3
0.6154 Remote Similarity NPD5141 Approved
0.6147 Remote Similarity NPD6101 Approved
0.6147 Remote Similarity NPD1695 Approved
0.6147 Remote Similarity NPD5764 Clinical (unspecified phase)
0.614 Remote Similarity NPD7638 Approved
0.6134 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6129 Remote Similarity NPD7115 Discovery
0.6124 Remote Similarity NPD8451 Approved
0.6124 Remote Similarity NPD6336 Discontinued
0.6121 Remote Similarity NPD8083 Approved
0.6121 Remote Similarity NPD8084 Approved
0.6121 Remote Similarity NPD8085 Approved
0.6121 Remote Similarity NPD8138 Approved
0.6121 Remote Similarity NPD8086 Approved
0.6121 Remote Similarity NPD8082 Approved
0.6121 Remote Similarity NPD8139 Approved
0.6102 Remote Similarity NPD6008 Approved
0.6095 Remote Similarity NPD4270 Approved
0.6095 Remote Similarity NPD4269 Approved
0.6094 Remote Similarity NPD6067 Discontinued
0.6094 Remote Similarity NPD7642 Approved
0.6091 Remote Similarity NPD5785 Approved
0.609 Remote Similarity NPD8338 Approved
0.6087 Remote Similarity NPD4696 Approved
0.6087 Remote Similarity NPD5285 Approved
0.6087 Remote Similarity NPD5286 Approved
0.6077 Remote Similarity NPD8448 Approved
0.6075 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6075 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6071 Remote Similarity NPD5282 Discontinued
0.6068 Remote Similarity NPD8276 Approved
0.6068 Remote Similarity NPD8275 Approved
0.6063 Remote Similarity NPD8444 Approved
0.6053 Remote Similarity NPD4755 Approved
0.6048 Remote Similarity NPD6274 Approved
0.6038 Remote Similarity NPD5331 Approved
0.6038 Remote Similarity NPD5332 Approved
0.6036 Remote Similarity NPD6411 Approved
0.6036 Remote Similarity NPD8035 Phase 2
0.6036 Remote Similarity NPD7637 Suspended
0.6036 Remote Similarity NPD8034 Phase 2
0.6031 Remote Similarity NPD6033 Approved
0.6029 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6019 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6018 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6017 Remote Similarity NPD8081 Approved
0.6 Remote Similarity NPD5696 Approved
0.6 Remote Similarity NPD4790 Discontinued
0.6 Remote Similarity NPD5369 Approved
0.6 Remote Similarity NPD4225 Approved
0.5984 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5983 Remote Similarity NPD4633 Approved
0.5983 Remote Similarity NPD5224 Approved
0.5983 Remote Similarity NPD5225 Approved
0.5983 Remote Similarity NPD5226 Approved
0.5982 Remote Similarity NPD8171 Discontinued
0.5982 Remote Similarity NPD6399 Phase 3
0.5966 Remote Similarity NPD8393 Approved
0.5963 Remote Similarity NPD7524 Approved
0.595 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5948 Remote Similarity NPD4700 Approved
0.594 Remote Similarity NPD5956 Approved
0.594 Remote Similarity NPD8392 Approved
0.594 Remote Similarity NPD8390 Approved
0.594 Remote Similarity NPD8391 Approved
0.5938 Remote Similarity NPD8268 Approved
0.5938 Remote Similarity NPD8266 Approved
0.5938 Remote Similarity NPD8269 Approved
0.5938 Remote Similarity NPD8267 Approved
0.5932 Remote Similarity NPD5174 Approved
0.5932 Remote Similarity NPD5175 Approved
0.5926 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5917 Remote Similarity NPD8140 Approved
0.5917 Remote Similarity NPD8307 Discontinued
0.5906 Remote Similarity NPD7100 Approved
0.5906 Remote Similarity NPD7101 Approved
0.5905 Remote Similarity NPD4252 Approved
0.5897 Remote Similarity NPD5223 Approved
0.5897 Remote Similarity NPD5344 Discontinued
0.5896 Remote Similarity NPD7260 Phase 2

Structure

External Identifiers

PubChem CID   158144
ChEMBL   CHEMBL1079678
ZINC  

Physicochemical Properties

Molecular Weight:  376.14
ALogP:  -3.1798
MLogP:  2.12
XLogP:  -1.413
# Rotatable Bonds:  11
Polar Surface Area:  166.14
# H-Bond Aceptor:  10
# H-Bond Donor:  6
# Rings:  3
# Heavy Atoms:  26

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs